About N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 159923212) has the molecular formula C126H129Cl6F6N27O16
and a molecular weight of 2604.30 g/mol. Its IUPAC name is N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
Frequently Asked Questions
What is the IUPAC name of N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 159923212) is N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCN(CC)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.CN(C)CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N(CCO)CCO)c1cc2cc(Cl)ncc2[nH]1.O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)NCCN1CCOCC1)c1cc2cc(Cl)ncc2[nH]1.O=C1CN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2cc3cc(Cl)ncc3[nH]2)CCN1.
What is the InChIKey of N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is NYRHVETWVJAVET-BOSIGCJFSA-N. The full InChI is InChI=1S/C23H25ClFN5O3.C21H19ClFN5O3.C21H23ClFN5O2.C21H22ClFN4O4.C21H22ClFN4O2.C19H18ClFN4O2/c24-21-13-16-12-19(28-20(16)14-27-21)23(32)29-18(11-15-1-3-17(25)4-2-15)22(31)26-5-6-30-7-9-33-10-8-30;22-18-9-13-8-15(26-17(13)10-25-18)20(30)27-16(7-12-1-3-14(23)4-2-12)21(31)28-6-5-24-19(29)11-28;1-28(2)8-7-24-20(29)16(9-13-3-5-15(23)6-4-13)27-21(30)17-10-14-11-19(22)25-12-18(14)26-17;22-19-11-14-10-16(25-18(14)12-24-19)20(30)26-17(9-13-1-3-15(23)4-2-13)21(31)27(5-7-28)6-8-29;1-3-27(4-2)21(29)17(9-13-5-7-15(23)8-6-13)26-20(28)16-10-14-11-19(22)24-12-18(14)25-16;1-25(2)19(27)15(7-11-3-5-13(21)6-4-11)24-18(26)14-8-12-9-17(20)22-10-16(12)23-14/h1-4,12-14,18,28H,5-11H2,(H,26,31)(H,29,32);1-4,8-10,16,26H,5-7,11H2,(H,24,29)(H,27,30);3-6,10-12,16,26H,7-9H2,1-2H3,(H,24,29)(H,27,30);1-4,10-12,17,25,28-29H,5-9H2,(H,26,30);5-8,10-12,17,25H,3-4,9H2,1-2H3,(H,26,28);3-6,8-10,15,23H,7H2,1-2H3,(H,24,26)/t18-;2*16-;2*17-;15-/m000000/s1.
What are the key properties of N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2604.30 g/mol, XLogP of 14.03, 42 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[bis(2-hydroxyethyl)amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(diethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-[2-(dimethylamino)ethylamino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-1-(dimethylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-chloro-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(3-oxopiperazin-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 159923212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).